#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xqq s GLN 2 N 0.00 4.25 0.23 3.17 -0.21 -1.26 -0.84 119.66 125.00 1xqq s GLN 2 Ca 0.00 2.29 0.09 0.00 0.02 0.00 0.00 55.36 57.76 1xqq s GLN 2 Cb 0.00 -3.01 -0.05 0.00 1.00 0.00 0.00 33.01 30.95 1xqq s GLN 2 CO 0.00 -0.30 -0.16 0.96 -2.12 0.00 0.00 175.29 173.67 1xqq s ILE 3 N -1.15 1.96 -0.21 1.08 -4.36 -0.02 -0.88 121.20 117.61 1xqq s ILE 3 Ca 0.51 -2.27 -0.04 0.00 -0.26 0.00 0.00 60.65 58.59 1xqq s ILE 3 Cb -0.41 -2.12 -0.02 0.00 1.25 0.00 0.00 42.46 41.17 1xqq s ILE 3 CO 0.55 -0.53 -0.02 -0.36 0.24 0.00 0.00 174.94 174.81 1xqq s PHE 4 N -2.82 2.99 -0.33 1.37 0.08 0.02 -0.91 117.98 118.38 1xqq s PHE 4 Ca 0.25 -0.71 -0.06 0.00 0.12 0.00 0.00 56.93 56.53 1xqq s PHE 4 Cb -0.02 -2.09 0.04 0.00 -0.57 0.00 0.00 43.02 40.37 1xqq s PHE 4 CO 0.09 -0.41 0.09 0.08 -0.10 0.00 0.00 175.22 174.97 1xqq s VAL 5 N 1.27 3.65 0.15 -0.44 1.01 0.81 -1.37 120.40 125.47 1xqq s VAL 5 Ca 0.03 -1.16 -0.30 0.00 0.00 0.00 0.00 61.98 60.55 1xqq s VAL 5 Cb -0.14 -3.07 -0.07 0.00 0.00 0.00 0.00 36.38 33.10 1xqq s VAL 5 CO -0.00 -0.16 1.10 -0.54 0.00 0.00 0.00 175.10 175.50 1xqq s LYS 6 N 1.38 4.58 0.00 2.72 1.02 0.52 -1.29 119.74 128.67 1xqq s LYS 6 Ca -0.02 1.70 0.00 0.00 0.02 0.00 0.00 55.97 57.67 1xqq s LYS 6 Cb -0.19 -3.30 0.00 0.00 -0.52 0.00 0.00 37.83 33.82 1xqq s LYS 6 CO 0.02 0.04 0.00 0.25 -0.92 0.00 0.00 175.35 174.74 1xqq n THR 7 N 2.63 0.00 -0.01 2.17 -2.24 -0.99 0.32 114.28 116.16 1xqq n THR 7 Ca 0.04 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.62 1xqq n THR 7 Cb 0.46 -1.08 -0.14 0.00 -2.10 0.00 0.00 70.33 67.48 1xqq n THR 7 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1xqq n LEU 8 N 0.00 2.36 0.00 3.22 7.94 -1.24 -4.44 117.00 124.85 1xqq n LEU 8 Ca 0.00 0.22 -0.00 0.00 -1.11 0.00 0.00 56.01 55.11 1xqq n LEU 8 Cb 0.00 -0.89 -0.00 0.00 0.53 0.00 0.00 43.42 43.06 1xqq n LEU 8 CO 0.00 0.79 0.21 0.71 -1.11 0.00 0.00 177.39 177.98 1xqq h THR 9 N 0.06 0.00 0.00 1.96 1.35 -1.95 -3.49 112.91 110.83 1xqq h THR 9 Ca -0.41 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 1xqq h THR 9 Cb 2.03 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 1xqq h THR 9 CO 0.08 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.96 1xqq n GLY 10 N 0.74 0.00 3.41 5.82 0.00 -1.26 -5.14 105.19 108.75 1xqq n GLY 10 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1xqq n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xqq s LYS 11 N 0.00 3.47 -0.54 1.61 2.20 -1.26 -4.96 119.74 120.26 1xqq s LYS 11 Ca 0.00 -0.63 -0.23 0.00 -0.36 0.00 0.00 55.97 54.75 1xqq s LYS 11 Cb 0.00 -2.74 0.05 0.00 -1.51 0.00 0.00 37.83 33.63 1xqq s LYS 11 CO 0.00 0.20 0.85 0.99 -0.36 0.00 0.00 175.35 177.03 1xqq s THR 12 N 0.41 4.54 -0.44 3.43 2.01 -1.26 -2.35 115.64 121.98 1xqq s THR 12 Ca -0.08 0.05 -0.25 0.00 0.31 0.00 0.00 61.69 61.72 1xqq s THR 12 Cb -0.15 -4.47 0.02 0.00 0.01 0.00 0.00 72.50 67.92 1xqq s THR 12 CO 0.04 -1.02 0.87 -0.63 -0.69 0.00 0.00 174.62 173.20 1xqq s ILE 13 N 3.55 4.56 -0.36 1.82 1.01 -0.41 -4.87 121.20 126.49 1xqq s ILE 13 Ca 0.26 0.72 -0.13 0.00 0.00 0.00 0.00 60.65 61.50 1xqq s ILE 13 Cb -0.15 -4.37 -0.00 0.00 0.01 0.00 0.00 42.46 37.95 1xqq s ILE 13 CO 0.17 -0.73 0.25 -0.89 0.00 0.00 0.00 174.94 173.73 1xqq s THR 14 N 3.54 5.19 -0.04 2.92 2.01 -1.26 -0.14 115.64 127.86 1xqq s THR 14 Ca 0.35 -0.38 0.05 0.00 0.31 0.00 0.00 61.69 62.02 1xqq s THR 14 Cb -0.11 -3.73 -0.02 0.00 0.01 0.00 0.00 72.50 68.64 1xqq s THR 14 CO 0.24 -0.09 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.13 1xqq s LEU 15 N 1.70 2.49 -0.43 4.42 1.43 -0.08 -4.92 118.68 123.27 1xqq s LEU 15 Ca 0.05 -0.30 -0.17 0.00 -1.03 0.00 0.00 54.13 52.68 1xqq s LEU 15 Cb -0.18 -1.48 0.03 0.00 0.03 0.00 0.00 46.19 44.59 1xqq s LEU 15 CO 0.10 0.33 0.45 -0.70 0.23 0.00 0.00 176.35 176.76 1xqq s GLU 16 N -0.63 3.09 0.22 1.70 2.12 -1.26 -0.84 118.70 123.10 1xqq s GLU 16 Ca 0.09 -0.82 0.11 0.00 0.36 0.00 0.00 54.97 54.71 1xqq s GLU 16 Cb -0.11 -4.00 -0.05 0.00 0.26 0.00 0.00 34.13 30.24 1xqq s GLU 16 CO 0.00 -0.91 -0.19 0.14 -0.54 0.00 0.00 175.26 173.77 1xqq s VAL 17 N 2.15 2.62 -0.11 3.70 -7.23 -0.02 -4.95 120.40 116.56 1xqq s VAL 17 Ca 0.12 -2.05 -0.02 0.00 -1.81 0.00 0.00 61.98 58.21 1xqq s VAL 17 Cb -0.18 -2.31 -0.03 0.00 0.56 0.00 0.00 36.38 34.42 1xqq s VAL 17 CO 0.13 -0.21 -0.01 -1.61 -0.31 0.00 0.00 175.10 173.09 1xqq s GLU 18 N -2.98 3.20 0.00 4.82 2.02 -1.26 -0.56 118.70 123.94 1xqq s GLU 18 Ca 0.25 -0.44 0.29 0.00 0.02 0.00 0.00 54.97 55.08 1xqq s GLU 18 Cb -0.07 -2.83 1.48 0.00 0.10 0.00 0.00 34.13 32.80 1xqq s GLU 18 CO 0.13 0.55 2.01 -0.35 0.02 0.00 0.00 175.26 177.62 1xqq n PRO 19 N 2.59 0.43 0.00 0.39 -0.04 -1.26 -2.00 135.00 135.11 1xqq n PRO 19 Ca -0.18 0.01 0.12 0.00 -0.04 0.00 0.00 63.50 63.41 1xqq n PRO 19 Cb 0.53 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.66 1xqq n PRO 19 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1xqq n SER 20 N -1.27 0.81 -4.10 3.54 7.64 -1.26 -1.43 113.62 117.55 1xqq n SER 20 Ca 0.14 -0.62 -0.30 0.00 1.01 0.00 0.00 58.87 59.10 1xqq n SER 20 Cb 0.22 0.43 0.19 0.00 -1.01 0.00 0.00 64.21 64.04 1xqq n SER 20 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1xqq s ASP 21 N -2.88 2.69 0.45 6.43 1.01 -0.85 -4.82 116.67 118.70 1xqq s ASP 21 Ca 0.13 0.37 0.02 0.00 0.71 0.00 0.00 52.55 53.78 1xqq s ASP 21 Cb 0.17 -0.48 0.02 0.00 1.01 0.00 0.00 42.92 43.64 1xqq s ASP 21 CO 0.70 -3.01 0.15 0.35 0.21 0.00 0.00 175.17 173.58 1xqq n THR 22 N -3.97 0.00 -0.06 -1.27 -2.24 -1.26 -1.64 114.28 103.83 1xqq n THR 22 Ca 0.14 -1.97 -0.01 0.00 -2.27 0.00 0.00 64.05 59.95 1xqq n THR 22 Cb 0.59 0.19 0.27 0.00 -2.10 0.00 0.00 70.33 69.29 1xqq n THR 22 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1xqq h ILE 23 N 0.97 1.20 -0.78 2.28 1.08 -1.24 -2.92 117.51 118.09 1xqq h ILE 23 Ca -0.33 -0.69 0.18 0.00 -0.39 0.00 0.00 64.86 63.63 1xqq h ILE 23 Cb 1.09 0.73 -0.05 0.00 -3.07 0.00 0.00 36.82 35.52 1xqq h ILE 23 CO 0.54 0.25 0.53 -0.08 -0.69 0.00 0.00 178.15 178.71 1xqq h GLU 24 N 0.65 0.28 -0.64 2.37 4.81 -1.81 -1.79 114.58 118.45 1xqq h GLU 24 Ca 0.15 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.29 1xqq h GLU 24 Cb 0.23 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 1xqq h GLU 24 CO -0.00 0.18 0.10 -0.97 -0.73 0.00 0.00 179.01 177.59 1xqq h ASN 25 N 0.29 1.00 -0.06 1.04 -0.73 -1.85 -2.06 115.58 113.21 1xqq h ASN 25 Ca 0.39 -0.23 -0.10 0.00 1.87 0.00 0.00 56.30 58.23 1xqq h ASN 25 Cb 1.10 -0.27 0.01 0.00 0.27 0.00 0.00 38.32 39.43 1xqq h ASN 25 CO -0.10 1.00 -0.36 0.58 -0.37 0.00 0.00 177.43 178.17 1xqq h VAL 26 N 0.99 1.43 -0.05 2.57 2.07 -1.40 -2.07 116.25 119.79 1xqq h VAL 26 Ca 0.20 -1.80 -0.04 0.00 0.82 0.00 0.00 66.70 65.87 1xqq h VAL 26 Cb 0.42 2.40 -0.01 0.00 -1.52 0.00 0.00 31.29 32.58 1xqq h VAL 26 CO 0.01 0.52 -0.17 0.50 0.02 0.00 0.00 177.57 178.45 1xqq h LYS 27 N -0.16 0.07 -0.63 1.57 3.64 -1.33 -2.12 116.57 117.61 1xqq h LYS 27 Ca -0.03 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.29 1xqq h LYS 27 Cb 1.03 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.81 1xqq h LYS 27 CO 0.07 0.25 0.20 0.00 -2.27 0.00 0.00 179.45 177.70 1xqq h ALA 28 N 1.76 1.16 0.00 5.00 0.00 -1.23 -2.29 119.26 123.66 1xqq h ALA 28 Ca 0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1xqq h ALA 28 Cb 0.34 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1xqq h ALA 28 CO 0.02 0.58 -0.11 0.87 0.00 0.00 0.00 179.25 180.62 1xqq h LYS 29 N 0.93 0.00 -0.00 0.00 1.57 -0.68 0.12 116.57 118.50 1xqq h LYS 29 Ca 0.21 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.82 1xqq h LYS 29 Cb 0.26 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 1xqq h LYS 29 CO -0.01 0.11 -0.78 0.82 -0.57 0.00 0.00 179.45 179.02 1xqq h ILE 30 N 0.00 1.53 -0.20 1.86 2.04 -1.46 -0.86 117.51 120.41 1xqq h ILE 30 Ca -0.00 -2.58 -0.01 0.00 1.00 0.00 0.00 64.86 63.27 1xqq h ILE 30 Cb 0.68 2.40 -0.01 0.00 -0.74 0.00 0.00 36.82 39.15 1xqq h ILE 30 CO 0.01 0.74 0.09 -0.61 0.00 0.00 0.00 178.15 178.38 1xqq h GLN 31 N 0.04 0.30 0.02 2.37 4.15 -1.01 -0.48 115.11 120.49 1xqq h GLN 31 Ca -0.02 -0.05 -0.08 0.00 0.77 0.00 0.00 58.65 59.27 1xqq h GLN 31 Cb 1.37 -0.05 0.01 0.00 0.21 0.00 0.00 27.48 29.02 1xqq h GLN 31 CO 0.11 0.35 -0.32 0.22 -1.93 0.00 0.00 178.83 177.26 1xqq h ASP 32 N 0.18 0.25 0.00 -0.69 3.58 -0.80 -3.26 116.42 115.68 1xqq h ASP 32 Ca 0.07 -0.83 0.00 0.00 0.42 0.00 0.00 57.03 56.69 1xqq h ASP 32 Cb 0.16 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.13 1xqq h ASP 32 CO -0.01 1.05 0.00 1.17 -2.88 0.00 0.00 179.24 178.57 1xqq n LYS 33 N -4.45 0.00 0.13 0.28 3.00 -0.33 -4.61 118.16 112.19 1xqq n LYS 33 Ca -0.10 0.16 -0.22 0.00 -0.00 0.00 0.00 58.31 58.14 1xqq n LYS 33 Cb 0.56 -0.80 -0.15 0.00 0.00 0.00 0.00 35.03 34.63 1xqq n LYS 33 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 1xqq h GLU 34 N 0.00 0.45 -1.25 1.64 4.57 -1.72 -3.49 114.58 114.79 1xqq h GLU 34 Ca 0.00 -0.77 0.00 0.00 -1.18 0.00 0.00 59.36 57.41 1xqq h GLU 34 Cb 0.00 0.29 0.00 0.00 -0.16 0.00 0.00 28.75 28.88 1xqq h GLU 34 CO 0.00 1.37 0.00 0.41 -1.18 0.00 0.00 179.01 179.61 1xqq n GLY 35 N 1.67 0.50 3.55 1.92 0.00 -0.21 -5.05 105.19 107.57 1xqq n GLY 35 Ca -0.15 -0.31 -0.38 0.00 0.00 0.00 0.00 46.02 45.19 1xqq n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xqq s ILE 36 N -2.23 5.04 0.77 -0.61 1.01 -1.16 -5.01 121.20 119.01 1xqq s ILE 36 Ca 0.00 0.08 -0.12 0.00 0.00 0.00 0.00 60.65 60.61 1xqq s ILE 36 Cb 0.00 -3.39 0.06 0.00 0.01 0.00 0.00 42.46 39.14 1xqq s ILE 36 CO 0.00 0.27 1.11 -2.84 0.00 0.00 0.00 174.94 173.48 1xqq s PRO 37 N 1.72 2.16 0.00 2.79 0.02 -1.26 -4.26 135.00 136.17 1xqq s PRO 37 Ca 0.07 1.31 0.26 0.00 0.02 0.00 0.00 61.00 62.66 1xqq s PRO 37 Cb -0.16 -1.88 0.71 0.00 0.02 0.00 0.00 34.50 33.20 1xqq s PRO 37 CO 0.09 -1.73 1.55 -0.35 -0.33 0.00 0.00 177.00 176.22 1xqq n PRO 38 N -3.37 0.34 0.10 5.54 -0.04 -1.26 -2.05 135.00 134.27 1xqq n PRO 38 Ca 0.10 -0.19 -0.03 0.00 -0.04 0.00 0.00 63.50 63.34 1xqq n PRO 38 Cb 0.52 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.66 1xqq n PRO 38 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 1xqq h ASP 39 N 0.45 0.23 0.71 3.54 2.03 -1.94 -2.94 116.42 118.49 1xqq h ASP 39 Ca 0.00 -0.12 0.00 0.00 -0.73 0.00 0.00 57.03 56.18 1xqq h ASP 39 Cb 0.49 -0.06 0.00 0.00 -0.83 0.00 0.00 39.33 38.92 1xqq h ASP 39 CO 0.00 0.72 -0.47 0.00 -1.03 0.00 0.00 179.24 178.45 1xqq n GLN 40 N -3.92 0.11 -2.90 4.15 6.02 -0.87 -4.29 117.38 115.68 1xqq n GLN 40 Ca -0.02 0.03 -0.41 0.00 -0.01 0.00 0.00 57.00 56.59 1xqq n GLN 40 Cb 0.56 -1.57 -0.04 0.00 1.02 0.00 0.00 30.24 30.21 1xqq n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1xqq s GLN 41 N -3.06 4.26 0.05 -1.09 -0.21 -1.11 -1.11 119.66 117.38 1xqq s GLN 41 Ca 0.10 0.98 0.05 0.00 0.02 0.00 0.00 55.36 56.51 1xqq s GLN 41 Cb 0.16 -3.60 -0.02 0.00 1.00 0.00 0.00 33.01 30.55 1xqq s GLN 41 CO 0.68 -0.38 -0.14 0.50 -2.12 0.00 0.00 175.29 173.83 1xqq s ARG 42 N 2.36 0.92 -0.18 2.91 3.52 -1.22 -4.73 118.95 122.51 1xqq s ARG 42 Ca 0.37 -0.83 -0.01 0.00 -0.13 0.00 0.00 55.73 55.13 1xqq s ARG 42 Cb -0.16 -0.94 0.00 0.00 -1.56 0.00 0.00 34.95 32.29 1xqq s ARG 42 CO 0.11 0.23 -0.13 -0.51 -0.81 0.00 0.00 175.30 174.18 1xqq s LEU 43 N -1.32 2.52 -0.14 -0.88 1.02 -1.26 -1.72 118.68 116.91 1xqq s LEU 43 Ca 0.01 -0.49 -0.02 0.00 0.02 0.00 0.00 54.13 53.65 1xqq s LEU 43 Cb -0.08 -1.60 -0.03 0.00 0.02 0.00 0.00 46.19 44.50 1xqq s LEU 43 CO 0.02 0.03 -0.06 -0.63 0.02 0.00 0.00 176.35 175.72 1xqq s ILE 44 N 1.16 3.70 -0.15 -0.59 -1.09 0.13 -0.76 121.20 123.60 1xqq s ILE 44 Ca 0.01 -0.43 0.00 0.00 -2.23 0.00 0.00 60.65 58.00 1xqq s ILE 44 Cb -0.14 -2.59 0.03 0.00 -1.58 0.00 0.00 42.46 38.17 1xqq s ILE 44 CO -0.05 0.52 -0.11 0.12 -1.23 0.00 0.00 174.94 174.19 1xqq s PHE 45 N 0.15 2.01 0.00 3.97 5.36 -0.46 -0.33 117.98 128.68 1xqq s PHE 45 Ca -0.03 -1.16 0.00 0.00 -0.96 0.00 0.00 56.93 54.79 1xqq s PHE 45 Cb -0.14 -1.50 0.00 0.00 -0.34 0.00 0.00 43.02 41.04 1xqq s PHE 45 CO 0.03 -0.64 0.00 0.00 -1.46 0.00 0.00 175.22 173.15 1xqq n ALA 46 N 4.81 0.00 -1.14 11.12 0.00 -1.26 -2.27 120.51 131.76 1xqq n ALA 46 Ca -0.15 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.30 1xqq n ALA 46 Cb 0.49 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.96 1xqq n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xqq n GLY 47 N 0.00 -0.35 3.12 0.00 0.00 -1.26 -5.01 105.19 101.69 1xqq n GLY 47 Ca 0.00 -0.11 -0.18 0.00 0.00 0.00 0.00 46.02 45.74 1xqq n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xqq s LYS 48 N -0.42 0.77 0.25 1.61 -2.85 -0.96 -5.14 119.74 113.01 1xqq s LYS 48 Ca 0.03 -0.76 -0.18 0.00 -1.00 0.00 0.00 55.97 54.06 1xqq s LYS 48 Cb 0.03 -0.72 -0.08 0.00 -2.06 0.00 0.00 37.83 34.99 1xqq s LYS 48 CO 0.00 0.17 0.73 1.14 0.10 0.00 0.00 175.35 177.49 1xqq s GLN 49 N -1.30 4.17 0.15 1.78 -2.07 -1.26 -1.36 119.66 119.76 1xqq s GLN 49 Ca -0.02 0.80 -0.08 0.00 -1.82 0.00 0.00 55.36 54.24 1xqq s GLN 49 Cb -0.08 -2.73 -0.06 0.00 -1.09 0.00 0.00 33.01 29.04 1xqq s GLN 49 CO 0.01 0.32 0.44 -0.51 -1.32 0.00 0.00 175.29 174.23 1xqq s LEU 50 N -2.31 4.26 0.00 2.60 1.43 0.06 -4.94 118.68 119.79 1xqq s LEU 50 Ca 0.47 0.76 0.00 0.00 -1.03 0.00 0.00 54.13 54.33 1xqq s LEU 50 Cb -0.14 -3.33 0.00 0.00 0.03 0.00 0.00 46.19 42.75 1xqq s LEU 50 CO 0.20 0.05 0.00 -1.84 0.23 0.00 0.00 176.35 174.99 1xqq n GLU 51 N 0.28 0.15 -0.10 1.70 0.28 -1.26 -4.71 120.64 116.98 1xqq n GLU 51 Ca -0.03 0.00 -0.19 0.00 -0.16 0.00 0.00 57.16 56.78 1xqq n GLU 51 Cb 0.52 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 33.32 1xqq n GLU 51 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1xqq n ASP 52 N -2.66 1.70 -3.60 -1.84 9.92 -1.26 -4.69 116.55 114.13 1xqq n ASP 52 Ca 0.00 0.15 -0.41 0.00 -0.53 0.00 0.00 54.79 54.01 1xqq n ASP 52 Cb 0.00 -0.51 0.01 0.00 -0.64 0.00 0.00 41.12 39.99 1xqq n ASP 52 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1xqq n GLY 53 N 1.98 5.95 2.88 0.44 0.00 -1.26 -2.37 105.19 112.81 1xqq n GLY 53 Ca -0.37 -2.47 -0.13 0.00 0.00 0.00 0.00 46.02 43.05 1xqq n GLY 53 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1xqq s ARG 54 N -3.66 0.06 0.69 1.61 3.52 -1.26 -4.99 118.95 114.91 1xqq s ARG 54 Ca 0.42 -0.01 -0.11 0.00 -0.13 0.00 0.00 55.73 55.90 1xqq s ARG 54 Cb 0.19 -0.08 0.00 0.00 -1.56 0.00 0.00 34.95 33.51 1xqq s ARG 54 CO -0.12 0.00 1.08 0.95 -0.81 0.00 0.00 175.30 176.40 1xqq s THR 55 N 0.06 3.70 0.22 4.11 -4.23 -1.26 -2.67 115.64 115.56 1xqq s THR 55 Ca -0.00 0.54 -0.04 0.00 -1.18 0.00 0.00 61.69 61.01 1xqq s THR 55 Cb -0.01 -3.54 0.05 0.00 1.34 0.00 0.00 72.50 70.33 1xqq s THR 55 CO -0.00 -0.72 1.65 -0.07 -0.54 0.00 0.00 174.62 174.94 1xqq h LEU 56 N -0.59 0.79 -0.85 4.79 3.38 -1.27 -2.08 115.31 119.47 1xqq h LEU 56 Ca -0.45 -0.27 -0.09 0.00 0.09 0.00 0.00 57.88 57.16 1xqq h LEU 56 Cb 1.24 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 1xqq h LEU 56 CO 0.63 0.96 -0.45 -1.28 0.09 0.00 0.00 178.44 178.40 1xqq h SER 57 N 0.70 0.00 -0.11 -0.43 0.87 -1.52 -2.28 113.55 110.78 1xqq h SER 57 Ca 0.10 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.45 1xqq h SER 57 Cb 0.68 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.65 1xqq h SER 57 CO 0.05 0.45 -0.74 -0.78 -0.53 0.00 0.00 176.83 175.28 1xqq h ASP 58 N 0.00 0.88 0.01 6.23 3.58 -1.82 -2.81 116.42 122.49 1xqq h ASP 58 Ca -0.00 -0.56 0.00 0.00 0.42 0.00 0.00 57.03 56.88 1xqq h ASP 58 Cb 0.97 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.76 1xqq h ASP 58 CO 0.06 1.35 0.00 -1.22 -2.88 0.00 0.00 179.24 176.55 1xqq n TYR 59 N -3.93 0.00 -3.63 0.28 4.01 -0.79 -4.92 117.16 108.18 1xqq n TYR 59 Ca -0.07 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.38 1xqq n TYR 59 Cb 0.73 -0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.80 1xqq n TYR 59 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1xqq n ASN 60 N -1.00 -5.53 -4.66 7.72 5.15 -0.91 -5.00 115.26 111.03 1xqq n ASN 60 Ca 0.20 -0.98 -0.35 0.00 -0.60 0.00 0.00 54.58 52.86 1xqq n ASN 60 Cb 0.10 -3.60 -0.09 0.00 -0.53 0.00 0.00 39.78 35.65 1xqq n ASN 60 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1xqq s ILE 61 N -3.45 4.71 0.55 -1.44 -1.09 -0.91 -5.05 121.20 114.53 1xqq s ILE 61 Ca 0.47 -0.07 0.04 0.00 -2.23 0.00 0.00 60.65 58.87 1xqq s ILE 61 Cb -0.16 -3.09 0.04 0.00 -1.58 0.00 0.00 42.46 37.68 1xqq s ILE 61 CO 0.85 0.51 0.36 0.00 -1.23 0.00 0.00 174.94 175.43 1xqq n GLN 62 N 3.10 0.68 -1.65 2.79 10.64 -1.26 -4.69 117.38 126.99 1xqq n GLN 62 Ca -0.17 -3.52 -0.43 0.00 -1.83 0.00 0.00 57.00 51.05 1xqq n GLN 62 Cb 0.53 0.45 -0.03 0.00 -0.86 0.00 0.00 30.24 30.33 1xqq n GLN 62 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 1xqq n LYS 63 N -1.74 2.68 -2.39 2.61 5.02 -1.26 -3.45 118.16 119.63 1xqq n LYS 63 Ca -0.05 0.96 -0.04 0.00 -2.02 0.00 0.00 58.31 57.16 1xqq n LYS 63 Cb 0.64 -3.00 0.01 0.00 -0.02 0.00 0.00 35.03 32.65 1xqq n LYS 63 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1xqq n GLU 64 N 7.61 -0.90 -3.36 1.97 1.02 -0.06 -5.02 120.64 121.90 1xqq n GLU 64 Ca 0.22 0.17 -0.37 0.00 -0.02 0.00 0.00 57.16 57.16 1xqq n GLU 64 Cb 0.40 -3.52 -0.06 0.00 -0.02 0.00 0.00 31.44 28.24 1xqq n GLU 64 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1xqq s SER 65 N -2.94 6.91 -0.11 1.62 0.15 -1.22 -4.77 113.70 113.34 1xqq s SER 65 Ca 0.06 1.12 -0.22 0.00 0.70 0.00 0.00 55.95 57.60 1xqq s SER 65 Cb -0.02 -2.31 -0.03 0.00 -1.71 0.00 0.00 66.02 61.95 1xqq s SER 65 CO 0.07 0.22 0.67 0.42 1.20 0.00 0.00 173.24 175.82 1xqq s THR 66 N -1.24 5.04 0.12 6.45 -4.23 -1.26 -0.80 115.64 119.73 1xqq s THR 66 Ca 0.31 1.35 0.11 0.00 -1.18 0.00 0.00 61.69 62.28 1xqq s THR 66 Cb -0.17 -4.00 -0.04 0.00 1.34 0.00 0.00 72.50 69.63 1xqq s THR 66 CO 0.18 0.21 -0.26 -0.76 -0.54 0.00 0.00 174.62 173.45 1xqq s LEU 67 N 1.12 2.35 -0.06 4.79 1.02 -0.47 -4.65 118.68 122.78 1xqq s LEU 67 Ca 0.34 -0.71 0.06 0.00 0.02 0.00 0.00 54.13 53.84 1xqq s LEU 67 Cb -0.17 -1.26 -0.01 0.00 0.02 0.00 0.00 46.19 44.77 1xqq s LEU 67 CO 0.15 0.19 -0.25 -2.28 0.02 0.00 0.00 176.35 174.18 1xqq s HIS 68 N -1.04 2.45 -0.36 0.29 2.46 0.55 -0.35 115.29 119.29 1xqq s HIS 68 Ca 0.14 -0.71 -0.10 0.00 0.47 0.00 0.00 55.06 54.87 1xqq s HIS 68 Cb -0.10 -1.60 0.03 0.00 -0.13 0.00 0.00 32.58 30.77 1xqq s HIS 68 CO 0.06 -0.21 0.17 -1.17 -2.47 0.00 0.00 174.74 171.13 1xqq s LEU 69 N -0.18 4.52 0.00 8.88 2.96 0.15 0.20 118.68 135.21 1xqq s LEU 69 Ca -0.03 -0.96 0.04 0.00 -0.22 0.00 0.00 54.13 52.96 1xqq s LEU 69 Cb -0.14 -1.98 0.05 0.00 0.50 0.00 0.00 46.19 44.62 1xqq s LEU 69 CO 0.04 -0.34 0.41 1.33 -1.32 0.00 0.00 176.35 176.47 1xqq n VAL 70 N 4.95 0.00 -3.50 1.68 0.24 -0.70 -3.61 118.33 117.38 1xqq n VAL 70 Ca -0.12 -0.95 -0.42 0.00 -2.04 0.00 0.00 64.34 60.81 1xqq n VAL 70 Cb 0.46 -0.80 -0.10 0.00 -1.47 0.00 0.00 33.84 31.93 1xqq n VAL 70 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1xqq s LEU 71 N 0.00 4.92 0.11 1.34 2.96 -1.26 -3.45 118.68 123.31 1xqq s LEU 71 Ca 0.31 -0.85 -0.30 0.00 -0.22 0.00 0.00 54.13 53.06 1xqq s LEU 71 Cb -0.02 -2.12 -0.06 0.00 0.50 0.00 0.00 46.19 44.49 1xqq s LEU 71 CO 0.20 -0.40 1.03 -0.60 -1.32 0.00 0.00 176.35 175.26 1xqq s ARG 72 N 1.65 4.61 0.00 1.98 3.52 -0.27 -4.93 118.95 125.52 1xqq s ARG 72 Ca 0.04 1.56 0.00 0.00 -0.13 0.00 0.00 55.73 57.20 1xqq s ARG 72 Cb -0.19 -3.36 0.00 0.00 -1.56 0.00 0.00 34.95 29.84 1xqq s ARG 72 CO 0.09 0.07 0.00 1.28 -0.81 0.00 0.00 175.30 175.94 1xqq n LEU 73 N 2.99 0.00 -4.76 -0.88 4.77 -1.26 -4.38 117.00 113.48 1xqq n LEU 73 Ca 0.04 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.62 1xqq n LEU 73 Cb 0.48 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.52 1xqq n LEU 73 CO 0.53 -0.17 0.40 -0.13 -1.33 0.00 0.00 177.39 176.69 1xqq s ARG 74 N 1.08 4.42 0.00 3.23 1.81 -1.26 -4.56 118.95 123.67 1xqq s ARG 74 Ca 0.00 0.94 0.00 0.00 -1.72 0.00 0.00 55.73 54.95 1xqq s ARG 74 Cb 0.00 -3.34 0.00 0.00 -0.45 0.00 0.00 34.95 31.16 1xqq s ARG 74 CO 0.00 0.35 0.00 0.41 -0.68 0.00 0.00 175.30 175.38 1xqq n GLY 75 N 2.32 1.83 0.30 -3.53 0.00 -1.26 -5.30 105.19 99.55 1xqq n GLY 75 Ca -0.05 -0.66 0.15 0.00 0.00 0.00 0.00 46.02 45.46 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93